3-(4-bromophenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-bromophenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-bromophenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-bromophenyl)sulfonyl-5-methyl-2-(methylthio)-7-(1-piperazinyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-bromophenyl)sulfonyl-5-methyl-2-methylsulfanyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-brosyl-5-methyl-2-(methylthio)-7-piperazino-pyrazolo[1,5-a]pyrimidine Formula: C18H20BrN5O2S2 MolecularWeight: 482.4177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H20BrN5O2S2/c1-12-11-15(23-9-7-20-8-10-23)24-17(21-12)16(18(22-24)27-2)28(25,26)14-5-3-13(19)4-6-14/h3-6,11,20H,7-10H2,1-2H3